smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(-c2ccc(OCCC[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC000022941192 182343455 /nfs/dbraw/zinc/34/34/55/182343455.db2.gz RRBSCZCNYAJFEJ-LJQANCHMSA-N 2 2 321.424 3.027 1 30 DGEFLP N#Cc1ccc(-c2ccc(OCCC[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC000022941192 182343456 /nfs/dbraw/zinc/34/34/56/182343456.db2.gz RRBSCZCNYAJFEJ-LJQANCHMSA-N 2 2 321.424 3.027 1 30 DGEFLP